(3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C13H16N2O2 — CID 28892198

IUPAC(3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2)C1
InChIInChI=1S/C13H16N2O2/c1-9-4-3-5-11(6-9)15-8-10(7-12(15)16)13(17)14-2/h3-6,10H,7-8H2,1-2H3,(H,14,17)/t10-/m1/s1
InChIKeyLFMPUVUVOCKVNK-SNVBAGLBSA-N
MW232.28 g/mol
LogP1.09
Rot. Bonds2

About (3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 28892198) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID28892198
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2)C1
InChIInChI=1S/C13H16N2O2/c1-9-4-3-5-11(6-9)15-8-10(7-12(15)16)13(17)14-2/h3-6,10H,7-8H2,1-2H3,(H,14,17)/t10-/m1/s1
InChIKeyLFMPUVUVOCKVNK-SNVBAGLBSA-N
XLogP1.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(3,5-dimethylphenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017598
1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120547
(3R)-1-(3-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 28892382
1-(3-methylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 45010553
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
4-[[(3S)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9005077
1-(3-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17120633
1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6491186
N-[3-(dimethylamino)propyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120540
(3S)-N-(4-cyanophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 28892565
N-(1,1-dioxothiolan-3-yl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185972
(3R)-1-(3-methylphenyl)-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide
CID 93017611

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 28892198) is (3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2)C1.
What is the InChIKey of (3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LFMPUVUVOCKVNK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-4-3-5-11(6-9)15-8-10(7-12(15)16)13(17)14-2/h3-6,10H,7-8H2,1-2H3,(H,14,17)/t10-/m1/s1.
What are the key properties of (3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 28892198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).